2-nitro-4-[(2S)-4-oxidanylidene-3-phenethyl-1,2-dihydroquinazolin-2-yl]phenolate

Systemtic Name: 2-nitro-4-[(2S)-4-oxidanylidene-3-phenethyl-1,2-dihydroquinazolin-2-yl]phenolate Openeye Name: 2-nitro-4-[(2S)-4-oxo-3-phenethyl-1,2-dihydroquinazolin-2-yl]phenolate CAS Name: 2-nitro-4-[(2S)-4-oxo-3-phenethyl-1,2-dihydroquinazolin-2-yl]phenolate IUPAC Name: 2-nitro-4-[(2S)-4-oxo-3-phenethyl-1,2-dihydroquinazolin-2-yl]phenolate Traditional Name: 4-[(2S)-4-keto-3-phenethyl-1,2-dihydroquinazolin-2-yl]-2-nitro-phenolate Formula: C22H18N3O4- MolecularWeight: 388.39602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN2[C@H](NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O4/c26-20-11-10-16(14-19(20)25(28)29)21-23-18-9-5-4-8-17(18)22(27)24(21)13-12-15-6-2-1-3-7-15/h1-11,14,21,23,26H,12-13H2/p-1/t21-/m0/s1